N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide

C14H21N3O2 — CID 62638247

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-9(16-14(19)10(2)15-4)12-6-5-7-13(8-12)17-11(3)18/h5-10,15H,1-4H3,(H,16,19)(H,17,18)
InChIKeyQTHPEXAHWKLNIQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide

N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide (PubChem CID 62638247) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
PubChem CID62638247
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-9(16-14(19)10(2)15-4)12-6-5-7-13(8-12)17-11(3)18/h5-10,15H,1-4H3,(H,16,19)(H,17,18)
InChIKeyQTHPEXAHWKLNIQ-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 46598585
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide (CID 62638247) is N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide?
The InChIKey is QTHPEXAHWKLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(16-14(19)10(2)15-4)12-6-5-7-13(8-12)17-11(3)18/h5-10,15H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide?
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 62638247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).